4-[3-(3-bromophenyl)propyl]morpholine

• ChemBase ID: 290476
• Molecular Formular: C13H18BrNO
• Molecular Mass: 284.19212
• Monoisotopic Mass: 283.0571762
• SMILES: Brc1cc(CCCN2CCOCC2)ccc1
• Canonical SMILES: Brc1cccc(c1)CCCN1CCOCC1
• InChI: InChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2
• InChIKey: BRDFMYRGMMWEOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-bromophenyl)propyl]morpholine
• IUPAC Traditional name: 4-[3-(3-bromophenyl)propyl]morpholine
• Synonyms: 4-(3-(3-Bromophenyl)propyl)morpholine

Database IDs

• CAS Number: 1133116-11-6
• PubChem SID: 180676007
• PubChem CID: 46739426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2446387
• LogD (pH = 7.4): 2.8656278
• Log P: 3.1981246
• Molar Refractivity: 70.654 cm^3
• Polarizability: 27.345037 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%